[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C15H22Cl2N4 — CID 120781241

IUPAC[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.Cn1c(CN2CCC(C)(CN)C2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H21ClN4.ClH/c1-15(9-17)5-6-20(10-15)8-14-18-12-4-3-11(16)7-13(12)19(14)2;/h3-4,7H,5-6,8-10,17H2,1-2H3;1H
InChIKeyHUAXBENMBMXIAP-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.82
Rot. Bonds3

About [1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120781241) has the molecular formula C15H22Cl2N4 and a molecular weight of 329.28 g/mol. Its IUPAC name is [1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120781241
Molecular FormulaC15H22Cl2N4
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.Cn1c(CN2CCC(C)(CN)C2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H21ClN4.ClH/c1-15(9-17)5-6-20(10-15)8-14-18-12-4-3-11(16)7-13(12)19(14)2;/h3-4,7H,5-6,8-10,17H2,1-2H3;1H
InChIKeyHUAXBENMBMXIAP-UHFFFAOYSA-N
XLogP2.82
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780786
1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782258
[1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120773364
[1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781196
(3S,4R)-1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770494
[1-[(4-bromo-3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120847005
[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771938
[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771962
[1-[(5-chloro-2-nitrophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120771340
(3S,4R)-1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770495
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
[1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120846916

Frequently Asked Questions

What is the IUPAC name of [1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120781241) is [1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is Cl.Cn1c(CN2CCC(C)(CN)C2)nc2ccc(Cl)cc21.
What is the InChIKey of [1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is HUAXBENMBMXIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4.ClH/c1-15(9-17)5-6-20(10-15)8-14-18-12-4-3-11(16)7-13(12)19(14)2;/h3-4,7H,5-6,8-10,17H2,1-2H3;1H.
What are the key properties of [1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 329.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120781241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).